AB00684521-01
TL;DR: AB00684521-01 (CAS 687568-24-7) is a chemical compound with molecular formula C22H20N4O4S2 and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00684521-01, F0579-0824, N-(2,3-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(2,3-dimethylphenyl)-2-((3-(4-nitrophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(2,3-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C22H20N4O4S2 |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 4.13654 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.0926 |
| Heavy Atoms | 32 |
| Complexity | 1272.1578 |
Chemical Identifiers
| CAS Number | 687568-24-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3)C |
Product Overview
AB00684521-01 (CAS 687568-24-7), with molecular formula C22H20N4O4S2 and molecular weight 468.09 g/mol. IUPAC: N-(2,3-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684521-01
Property Insights of AB00684521-01
The XLogP value of 4.13654 indicates that AB00684521-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684521-01. Following Lipinski's Rule of Five, AB00684521-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00684521-01?
The CAS number of AB00684521-01 is 687568-24-7.
What is the molecular formula of AB00684521-01?
The molecular formula of AB00684521-01 is C22H20N4O4S2.
What is the molecular weight of AB00684521-01?
The molecular weight of AB00684521-01 is 468.09 g/mol.
Where can I buy AB00684521-01?
You can request a quote for AB00684521-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684521-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684521-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.